CID 118033

Brn 0814645

Structural Information

Molecular Formula
C17H25ClN2O
SMILES
CCC(C1=CC=C(C=C1)Cl)(C2=NCC(CN2)(C)C)OCC
InChI
InChI=1S/C17H25ClN2O/c1-5-17(21-6-2,13-7-9-14(18)10-8-13)15-19-11-16(3,4)12-20-15/h7-10H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKey
YFNBRJDQNDFSSJ-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-1-ethoxypropyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.16553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17281 174.3
[M+Na]+ 331.15475 181.0
[M-H]- 307.15825 176.2
[M+NH4]+ 326.19935 188.7
[M+K]+ 347.12869 175.3
[M+H-H2O]+ 291.16279 166.5
[M+HCOO]- 353.16373 184.6
[M+CH3COO]- 367.17938 202.3
[M+Na-2H]- 329.14020 178.3
[M]+ 308.16498 174.7
[M]- 308.16608 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.